SCHEMBL29133074

SCHEMBL29133074

c1ccc2c(c1)=C1CCCCC=21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
FGF23 Q9GZV9 1/20 0.31
PTGS2 P35354 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29133072 0.73 TSHR (0.47) TSHRKDM4ELMNACHRNB4CHRNA3
SCHEMBL8653245 0.71 PTGS2 (0.54) TSHRKDM4ECHRNB4CHRNA3FGF23
SCHEMBL8705170 0.69 PTGS2 (0.52) TSHRCHRNB4CHRNA3FGF23PTGS2
SCHEMBL30144760 0.69 PTGS2 (0.52) TSHRCHRNB4CHRNA3FGF23PTGS2
SCHEMBL30877921 0.69 PTGS2 (0.52) TSHRCHRNB4CHRNA3FGF23PTGS2
SCHEMBL8705175 0.69 PTGS2 (0.52) TSHRCHRNB4CHRNA3FGF23PTGS2
SCHEMBL545308 0.65 MEN1 (0.55) KDM4ELMNAHPGD
SCHEMBL8518215 0.65 PTGS2 (0.59) TSHRLMNACHRNB4CHRNA3FGF23
SCHEMBL8355 0.65 TSHR (1.00) TSHRHPGDL3MBTL1
SCHEMBL385555 0.65 TSHR (1.00) TSHRHPGDL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285515-A Deuterated composition, organic electroluminescent device and application thereof 阜阳欣奕华材料科技有限公司 2023-12-26 CN claimed
CN-114213376-B Compound containing fused fluorene derivative fragment and application thereof in organic electroluminescent device 上海钥熠电子科技有限公司 2024-05-28 CN disclosed